7M96

Bovine sigma-2 receptor bound to Z4857158944

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033167
Spacegroup name	P 1 21 1
Unit cell lengths	70.700, 55.350, 92.950
Unit cell angles	90.00, 94.50, 90.00

Refinement procedure

Resolution	40.190 - 2.410
R-factor	0.2521
Rwork	0.250
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7m93
RMSD bond length	0.003
RMSD bond angle	0.577
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.200	2.550
High resolution limit [Å]	2.410	2.410
Rmeas	0.223
Number of reflections	27659	4422
<I/σ(I)>	5.18	0.56
Completeness [%]	99.5	99.4
Redundancy	4.4	4.5
CC(1/2)	0.995	0.334

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	293	PEG 300,0.1 M MES pH 6,560 mM ammonium phosphate